1-[4-[4-(2-aminoethylamino)quinolin-2-yl]piperazin-1-yl]propan-1-one

C18H25N5O — CID 127044459

IUPAC1-[4-[4-(2-aminoethylamino)quinolin-2-yl]piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(c2cc(NCCN)c3ccccc3n2)CC1
InChIInChI=1S/C18H25N5O/c1-2-18(24)23-11-9-22(10-12-23)17-13-16(20-8-7-19)14-5-3-4-6-15(14)21-17/h3-6,13H,2,7-12,19H2,1H3,(H,20,21)
InChIKeyKFNJAECVNSAKPT-UHFFFAOYSA-N
MW327.43 g/mol
LogP1.66
Rot. Bonds5

About 1-[4-[4-(2-aminoethylamino)quinolin-2-yl]piperazin-1-yl]propan-1-one

1-[4-[4-(2-aminoethylamino)quinolin-2-yl]piperazin-1-yl]propan-1-one (PubChem CID 127044459) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-[4-[4-(2-aminoethylamino)quinolin-2-yl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-[4-(2-aminoethylamino)quinolin-2-yl]piperazin-1-yl]propan-1-one
PubChem CID127044459
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name1-[4-[4-(2-aminoethylamino)quinolin-2-yl]piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(c2cc(NCCN)c3ccccc3n2)CC1
InChIInChI=1S/C18H25N5O/c1-2-18(24)23-11-9-22(10-12-23)17-13-16(20-8-7-19)14-5-3-4-6-15(14)21-17/h3-6,13H,2,7-12,19H2,1H3,(H,20,21)
InChIKeyKFNJAECVNSAKPT-UHFFFAOYSA-N
XLogP1.66
TPSA74.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(2-aminoethylamino)quinolin-2-yl]piperazin-1-yl]propan-1-one?
The IUPAC name of 1-[4-[4-(2-aminoethylamino)quinolin-2-yl]piperazin-1-yl]propan-1-one (CID 127044459) is 1-[4-[4-(2-aminoethylamino)quinolin-2-yl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-[4-(2-aminoethylamino)quinolin-2-yl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-[4-(2-aminoethylamino)quinolin-2-yl]piperazin-1-yl]propan-1-one is CCC(=O)N1CCN(c2cc(NCCN)c3ccccc3n2)CC1.
What is the InChIKey of 1-[4-[4-(2-aminoethylamino)quinolin-2-yl]piperazin-1-yl]propan-1-one?
The InChIKey is KFNJAECVNSAKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-2-18(24)23-11-9-22(10-12-23)17-13-16(20-8-7-19)14-5-3-4-6-15(14)21-17/h3-6,13H,2,7-12,19H2,1H3,(H,20,21).
What are the key properties of 1-[4-[4-(2-aminoethylamino)quinolin-2-yl]piperazin-1-yl]propan-1-one?
1-[4-[4-(2-aminoethylamino)quinolin-2-yl]piperazin-1-yl]propan-1-one has a molecular weight of 327.43 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(2-aminoethylamino)quinolin-2-yl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 127044459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).